element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6153']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.6153, 0, 0], [0, 6.6153, 0], [0, 0, 6.6153]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:18:31     -300.324213        2.4985
BFGS:    1 17:18:31     -300.570983        2.1086
BFGS:    2 17:18:31     -300.845003        1.5407
BFGS:    3 17:18:31     -301.032627        0.9715
BFGS:    4 17:18:31     -301.132143        0.3508
BFGS:    5 17:18:31     -301.146552        0.0124
BFGS:    6 17:18:31     -301.146569        0.0001
BFGS:    7 17:18:31     -301.146570        0.0000
BFGS:    8 17:18:31     -301.146570        0.0000
Minimization converged after 8 steps.
Maximum force component: 1.1152635771798194e-29 eV/Angstrom
Maximum stress component: 2.7398669774306988e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.56395967e-33 0.00000000e+00 2.26205247e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.34991687e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.556589185041996, 2.780134800310748e-33, -8.73066097908292e-33], [-1.2521117964059862e-33, 6.556589185041996, -3.915811200035746e-18], [-9.03232400754612e-33, -3.9158112000357434e-18, 6.556589185041996]])
forces =  [[-5.38774675e-32 -9.42855681e-32 -4.71427841e-32]
 [-2.69387337e-32 -5.05101258e-32 -3.70407589e-32]
 [-7.74488595e-32 -2.69387337e-32 -3.70407589e-32]
 [-6.06121509e-32  4.04081006e-32 -4.04081006e-32]
 [ 2.69387337e-32 -6.06121509e-32  6.06121509e-32]
 [ 8.08162012e-32  1.88571136e-31  5.05101258e-32]
 [ 2.02040503e-32  1.34693669e-32  6.06121509e-32]
 [-1.27776772e-64  1.34693669e-31  7.40815178e-32]
 [ 2.37060857e-30  2.37060857e-30  1.29305922e-30]
 [-1.50856909e-30  4.31019740e-30  2.80162831e-30]
 [ 1.07754935e-30  3.44815792e-30  3.66366779e-30]
 [-1.72407896e-30 -3.66366779e-30 -2.37060857e-30]
 [ 4.31019740e-31 -2.58611844e-30  8.62039480e-31]
 [-1.07754935e-30  8.62039480e-31 -6.46529610e-31]
 [-4.57958474e-31 -2.42448604e-30  1.72407896e-30]
 [ 2.58611844e-30  1.72407896e-30  1.29305922e-30]
 [-6.46529610e-31 -1.50856909e-30  9.00967191e-49]
 [-1.06407346e-63 -6.46529610e-31  8.62039480e-31]
 [-2.15509870e-31 -1.11526358e-29 -4.57958474e-31]
 [ 3.44815792e-30  4.95672701e-30  1.29305922e-30]
 [ 1.50856909e-30  1.29305922e-30  1.72407896e-30]
 [-2.15509870e-30 -9.05141454e-30 -1.93958883e-30]
 [-4.31019740e-31  2.15509870e-31  2.58611844e-30]
 [ 1.77795643e-30  9.69794415e-31 -2.69387337e-31]]
stress =  [-2.73986698e-14 -2.73986698e-14 -2.73986698e-14  3.82650765e-30
 -1.34533798e-62 -9.95945924e-64]
energy per atom =  -12.547773729248215
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0